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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26N2O5.H2O
Molecular Weight 428.4782
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINAPRILAT HYDRATE

SMILES

O.C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N2CC3=C(C[C@H]2C(O)=O)C=CC=C3

InChI

InChIKey=OFYSYEOWQQCPEU-ZAFWUOJLSA-N
InChI=1S/C23H26N2O5.H2O/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30;/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30);1H2/t15-,19-,20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C23H26N2O5
Molecular Weight 410.4629
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:35:31 UTC 2023
Edited
by admin
on Fri Dec 15 18:35:31 UTC 2023
Record UNII
3P66XFG826
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUINAPRILAT HYDRATE
WHO-DD  
Common Name English
Quinaprilat hydrate [WHO-DD]
Common Name English
3-ISOQUINOLINECARBOXYLIC ACID, 2-(2-((1-CARBOXY-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-1,2,3,4-TETRAHYDRO-, (3S-(2(R*(R*)),3R*))-, MONOHYDRATE
Common Name English
Code System Code Type Description
FDA UNII
3P66XFG826
Created by admin on Fri Dec 15 18:35:31 UTC 2023 , Edited by admin on Fri Dec 15 18:35:31 UTC 2023
PRIMARY
SMS_ID
300000043919
Created by admin on Fri Dec 15 18:35:31 UTC 2023 , Edited by admin on Fri Dec 15 18:35:31 UTC 2023
PRIMARY
PUBCHEM
25030442
Created by admin on Fri Dec 15 18:35:31 UTC 2023 , Edited by admin on Fri Dec 15 18:35:31 UTC 2023
PRIMARY
CAS
1435786-09-6
Created by admin on Fri Dec 15 18:35:31 UTC 2023 , Edited by admin on Fri Dec 15 18:35:31 UTC 2023
PRIMARY
DRUG BANK
DBSALT002763
Created by admin on Fri Dec 15 18:35:31 UTC 2023 , Edited by admin on Fri Dec 15 18:35:31 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY